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Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

Large Language Models (LLMs) have achieved significant progress across various fields and have exhibited strong potential in evolutionary computation, such as generating new solutions and automating algorithm design. Surrogate-assisted…

Neural and Evolutionary Computing · Computer Science 2024-06-18 Hao Hao , Xiaoqun Zhang , Aimin Zhou

Training data attribution (TDA) methods aim to measure how training data impacts a model's predictions. While gradient-based attribution methods, such as influence functions, offer theoretical grounding, their computational costs make them…

Machine Learning · Computer Science 2025-11-27 Weiwei Sun , Haokun Liu , Nikhil Kandpal , Colin Raffel , Yiming Yang

Neural networks are universal approximators that traditionally have been used to learn a map between function inputs and outputs. However, recent research has demonstrated that deep neural networks can be used to approximate operators,…

High-Performance Computing (HPC) schedulers must balance user performance with facility-wide resource constraints. The task boils down to selecting the optimal number of nodes for a given job. We present a surrogate-assisted multi-objective…

Machine Learning · Computer Science 2026-01-23 Ashna Nawar Ahmed , Banooqa Banday , Terry Jones , Tanzima Z. Islam

Adjoint-based shape optimization of ship hulls is a powerful tool for addressing high-dimensional design problems in naval architecture, particularly in minimizing the ship resistance. However, its application to vessels that employ complex…

Joint-Embedding Predictive Architectures (JEPAs) aim to learn representations by predicting target embeddings from context embeddings, inducing a scalar compatibility energy in a latent space. In contrast, Quasimetric Reinforcement Learning…

Machine Learning · Computer Science 2026-02-13 Anthony Kobanda , Waris Radji

Accurate surrogate construction for PDE-driven high-dimensional rare-event simulation is challenging when performance evaluations are expensive. Since a globally accurate surrogate may require many high-fidelity evaluations, adaptive…

Numerical Analysis · Mathematics 2026-05-18 Zhiwei Gao , George Karniadakis

In this work, an efficient physics-constrained deep learning model is developed for solving multiphase flow in 3D heterogeneous porous media. The model fully leverages the spatial topology predictive capability of convolutional neural…

Geophysics · Physics 2021-05-21 Bicheng Yan , Dylan Robert Harp , Bailian Chen , Rajesh Pawar

I present a Variational Autoencoder (VAE) trained on collider physics data (specifically boosted $W$ jets), with reconstruction error given by an approximation to the Earth Movers Distance (EMD) between input and output jets. This VAE…

High Energy Physics - Phenomenology · Physics 2022-04-20 Jack H. Collins

Existing deep learning-based surrogate models facilitate efficient data generation, but fall short in uncertainty quantification, efficient parameter space exploration, and reverse prediction. In our work, we introduce SurroFlow, a novel…

Machine Learning · Computer Science 2024-07-19 Jingyi Shen , Yuhan Duan , Han-Wei Shen

Machine learning-based surrogate models have emerged as more efficient alternatives to numerical solvers for physical simulations over complex geometries, such as car bodies. Many existing models incorporate the simulation mesh as an…

Machine Learning · Computer Science 2026-01-27 Jan Hagnberger , Mathias Niepert

Shape priors have long been known to be effective when reconstructing 3D shapes from noisy or incomplete data. When using a deep-learning based shape representation, this often involves learning a latent representation, which can be either…

Computer Vision and Pattern Recognition · Computer Science 2022-06-22 Patrick M. Jensen , Udaranga Wickramasinghe , Anders B. Dahl , Pascal Fua , Vedrana A. Dahl

In recent advancements in unsupervised visual representation learning, the Joint-Embedding Predictive Architecture (JEPA) has emerged as a significant method for extracting visual features from unlabeled imagery through an innovative…

Computer Vision and Pattern Recognition · Computer Science 2024-10-28 Shentong Mo , Shengbang Tong

Accurate aerodynamic prediction often relies on high-fidelity simulations; however, their prohibitive computational costs severely limit their applicability in data-driven modeling. This limitation motivates the development of…

Machine Learning · Computer Science 2025-12-16 Javier Nieto-Centenero , Esther Andrés , Rodrigo Castellanos

Current multimodal learning strategies primarily optimize in the original token space. Such a framework is easy to incorporate with the backbone of pretrained language model, but might result in modality collapse. To alleviate such issues,…

Machine Learning · Computer Science 2025-06-19 Hongyang Lei , Xiaolong Cheng , Qi Qin , Dan Wang , Kun Fan , Huazhen Huang , Qingqing Gu , Yetao Wu , Zhonglin Jiang , Yong Chen , Luo Ji

Solving optimization problems with unknown parameters often requires learning a predictive model to predict the values of the unknown parameters and then solving the problem using these values. Recent work has shown that including the…

Machine Learning · Computer Science 2020-10-23 Kai Wang , Bryan Wilder , Andrew Perrault , Milind Tambe

Self-supervised learning has emerged as a powerful paradigm for learning visual representations without manual annotations, yet most methods still operate on a single modality and therefore miss the complementary structure available from…

Computer Vision and Pattern Recognition · Computer Science 2026-04-02 Ciem Cornelissen , Sam Leroux , Pieter Simoens

Self-supervised learning of visual representations has been focusing on learning content features, which do not capture object motion or location, and focus on identifying and differentiating objects in images and videos. On the other hand,…

Computer Vision and Pattern Recognition · Computer Science 2023-07-25 Adrien Bardes , Jean Ponce , Yann LeCun

Generative models have demonstrated strong performance in conditional settings and can be viewed as a form of data compression, where the condition serves as a compact representation. However, their limited controllability and…

Machine Learning · Computer Science 2025-07-04 Xiao Li , Liangji Zhu , Anand Rangarajan , Sanjay Ranka